3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one

C17H26N4O — CID 129343770

IUPAC3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(NC[C@@H]3CC=CCC3)CC2)c1=O
InChIInChI=1S/C17H26N4O/c1-20-12-9-18-16(17(20)22)21-10-7-15(8-11-21)19-13-14-5-3-2-4-6-14/h2-3,9,12,14-15,19H,4-8,10-11,13H2,1H3/t14-/m1/s1
InChIKeyXKQWNTMYPDQSMU-CQSZACIVSA-N
MW302.42 g/mol
LogP1.70
Rot. Bonds4

About 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 129343770) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID129343770
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(NC[C@@H]3CC=CCC3)CC2)c1=O
InChIInChI=1S/C17H26N4O/c1-20-12-9-18-16(17(20)22)21-10-7-15(8-11-21)19-13-14-5-3-2-4-6-14/h2-3,9,12,14-15,19H,4-8,10-11,13H2,1H3/t14-/m1/s1
InChIKeyXKQWNTMYPDQSMU-CQSZACIVSA-N
XLogP1.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 129343770) is 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(NC[C@@H]3CC=CCC3)CC2)c1=O.
What is the InChIKey of 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is XKQWNTMYPDQSMU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O/c1-20-12-9-18-16(17(20)22)21-10-7-15(8-11-21)19-13-14-5-3-2-4-6-14/h2-3,9,12,14-15,19H,4-8,10-11,13H2,1H3/t14-/m1/s1.
What are the key properties of 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 302.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 129343770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).